NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8932 8.3544 109.7363 45.4667 0.0000 172.8549 2 S 4.3408 8.4155 120.4944 55.4439 64.3332 172.2224 3 S 4.2450 8.7363 124.6008 61.5631 62.7742 171.7679 4 G 3.3502 7.8696 120.4120 44.8324 0.0000 170.6910 5 S 4.5782 7.2393 116.8263 56.8675 65.2514 175.7253 6 S 4.0939 8.3642 118.7535 62.0690 61.6398 174.0854 7 G 3.9772 9.1482 114.2453 45.9691 0.0000 169.6633 8 N 4.9798 7.6689 120.4127 51.8470 42.3210 173.4870 9 K 4.4085 8.2708 123.4596 55.5157 35.0393 175.0228 10 V 4.2287 8.0828 118.5354 60.1154 34.3869 174.6357 11 R 4.5274 7.9500 120.3425 54.7998 32.3442 174.6114 12 R 5.1521 8.4868 124.7994 54.9034 32.8562 175.6497 13 V 4.6703 8.3305 115.3730 59.7648 37.1873 173.8890 14 K 4.9726 8.5027 121.6187 54.8309 35.7632 175.5766 15 T 4.3650 8.9066 118.3622 61.7336 67.9511 174.8033 16 I 3.8124 8.0781 122.3845 62.9288 38.0332 175.3309 17 Y 5.1183 7.5867 118.9214 56.5201 42.0079 173.5697 18 D 5.0849 8.6092 120.1311 53.6461 42.2694 174.8501 19 C 4.6325 7.8440 121.6295 58.5679 34.6375 172.8471 20 Q 4.3754 7.9965 124.3295 52.9116 28.8833 173.3321 21 A 3.9635 8.1951 124.1937 52.4513 19.0730 177.5751 22 D 4.4403 8.7632 121.8872 55.4302 40.2297 176.5875 23 N 4.8160 7.7052 115.8545 51.1998 40.6368 174.7689 24 D 4.4929 8.6000 118.1335 56.9655 40.2818 177.1185 25 D 4.6509 8.4333 119.9738 57.2040 41.6313 177.3523 26 E 4.5868 8.1503 116.1848 56.3081 30.2479 176.4045 27 L 4.4556 8.4075 126.4782 54.8382 43.2703 175.9068 28 T 4.4422 8.5483 123.1969 62.3877 69.3368 173.7910 29 F 5.2168 7.5119 118.0531 55.5745 42.1158 173.3189 30 I 4.5868 8.4344 110.2601 58.8705 40.1832 173.9910 31 E 4.0988 8.9035 122.2354 59.3002 29.3611 177.2184 32 G 4.2739 8.8764 117.9675 45.9942 0.0000 172.4036 33 E 4.8519 8.4832 116.9619 54.1371 34.4633 175.2111 34 V 4.8564 8.2109 119.9770 61.2724 34.7645 174.2340 35 I 4.4719 8.2543 126.4272 59.5190 41.2805 174.7994 36 I 4.4166 7.9369 126.5636 59.3890 38.6793 175.0529 37 V 4.2461 8.6464 129.1288 63.5457 31.6931 175.8201 38 T 4.2420 9.3731 118.5051 62.4066 70.4300 175.0020 39 G 4.2427 7.7454 109.6322 42.9040 0.0000 170.4670 40 E 4.3379 8.2005 120.0440 57.0565 30.2895 177.6887 41 E 4.1021 9.1309 125.2331 58.5759 29.9250 175.6667 42 D 4.9498 8.6971 116.4846 52.8146 44.9283 175.6055 43 Q 4.3199 8.8018 119.0035 57.8359 29.4839 175.8930 44 E 4.3534 8.0075 115.8496 56.8381 32.9748 175.9033 45 W 4.8439 8.1550 118.5825 54.4423 32.3606 175.0680 46 W 5.4271 8.3199 122.9430 54.9172 33.1935 174.1582 47 I 5.0332 7.7387 122.2494 59.9360 39.5329 175.2963 48 G 5.0403 8.9559 111.5340 47.0426 0.0000 171.2222 49 H 5.7639 7.9156 114.8854 52.2822 31.8298 173.4070 50 I 4.0158 8.5200 121.4906 61.9436 38.0210 174.6412 51 E 3.8575 8.2201 127.9322 58.2015 29.2199 176.4527 52 G 4.3092 9.2784 116.5961 45.3524 0.0000 173.4599 53 Q 4.5187 7.8026 119.6922 53.1682 27.7002 173.3469 54 P 4.3171 0.0000 0.0000 64.9802 32.0770 179.1847 55 E 3.8081 8.2312 116.2493 58.6504 29.5121 176.8391 56 R 4.6539 7.7793 118.6472 54.3008 31.7091 176.1483 57 K 4.8568 8.0092 123.7294 54.8503 34.9016 175.7523 58 G 4.8336 8.8996 110.5869 45.3291 0.0000 172.6237 59 V 4.6078 8.6127 121.4067 61.8781 32.9061 174.9596 60 F 5.4132 9.3060 117.9343 54.4214 42.0508 172.1189 61 P 3.3837 0.0000 0.0000 62.0336 31.3483 177.3241 62 V 3.3782 7.8813 124.8527 65.5397 31.3226 177.8255 63 S 4.2621 7.6309 113.7760 60.1693 62.8647 174.5267 64 F 4.6555 8.7441 119.1799 57.6984 39.7431 175.5878 65 V 4.8221 7.4693 112.9758 59.4891 34.9942 174.9159 66 H 4.8607 8.9772 117.3373 53.5418 31.3130 172.6774 67 I 3.9854 8.6848 124.2267 61.7724 37.5727 176.3530 68 L 3.9792 8.0757 126.8794 54.7431 40.8073 176.6392 69 S 4.4170 8.3146 118.6844 56.3970 61.7375 172.9162 70 D 4.5924 8.3289 127.1703 53.6090 41.8779 175.6019 71 S 4.7524 9.7188 121.3283 55.6739 66.0026 173.9841 72 G 4.4166 8.2909 125.8964 45.4332 0.0000 170.3145 73 P 4.3452 0.0000 0.0000 65.9349 32.2870 178.6572 74 S 4.1828 8.0018 113.7967 58.3789 63.2406 174.3924 75 S 4.2024 8.6569 118.3363 58.9800 63.8190 174.4571 76 G 4.3207 8.6135 109.9665 46.2535 0.0000 173.2381 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 G 8.35 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 S 8.42 4.34 0.00 3.87 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.74 4.25 0.00 3.90 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 G 7.87 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 S 7.24 4.58 0.00 3.97 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.36 4.09 0.00 3.88 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 G 9.15 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 N 7.67 4.98 0.00 2.60 2.63 0.00 0.00 7.01 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.27 4.41 0.00 1.67 1.57 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.30 1.46 7.81 10 V 8.08 4.23 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.90 0.00 0.00 11 R 7.95 4.53 0.00 1.66 1.49 0.00 2.64 0.00 0.00 2.45 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.47 0.00 12 R 8.49 5.15 0.00 1.77 1.79 0.00 3.11 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 13 V 8.33 4.67 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 1.14 0.00 0.00 14 K 8.50 4.97 0.00 1.73 1.65 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.40 7.81 15 T 8.91 4.37 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.00 0.00 16 I 8.08 3.81 1.10 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 -0.36 0.59 0.00 0.00 17 Y 7.59 5.12 0.00 2.98 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 D 8.61 5.08 0.00 2.70 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 C 7.84 4.63 0.00 2.74 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Q 8.00 4.38 0.00 1.91 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.55 0.00 0.00 0.00 0.00 0.00 2.20 2.35 0.00 21 A 8.20 3.96 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 D 8.76 4.44 0.00 2.79 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.71 4.82 0.00 2.72 2.81 0.00 0.00 6.92 8.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 D 8.60 4.49 0.00 2.80 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 D 8.43 4.65 0.00 2.62 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.15 4.59 0.00 1.89 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.29 0.00 27 L 8.41 4.46 0.00 1.88 1.84 1.02 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 28 T 8.55 4.44 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 29 F 7.51 5.22 0.00 3.07 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 8.43 4.59 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.66 1.00 0.00 0.00 31 E 8.90 4.10 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 32 G 8.88 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.48 4.85 0.00 1.94 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 34 V 8.21 4.86 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.91 0.00 0.00 35 I 8.25 4.47 1.46 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.76 0.42 0.00 0.00 36 I 7.94 4.42 1.67 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.91 0.84 0.00 0.00 37 V 8.65 4.25 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 1.20 0.00 0.00 38 T 9.37 4.24 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 39 G 7.75 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 E 8.20 4.34 0.00 1.91 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.10 0.00 41 E 9.13 4.10 0.00 2.04 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.42 0.00 42 D 8.70 4.95 0.00 2.80 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.80 4.32 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.88 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 44 E 8.01 4.35 0.00 2.12 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.28 0.00 45 W 8.15 4.84 0.00 3.17 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 W 8.32 5.43 0.00 2.57 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 I 7.74 5.03 2.02 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.84 1.04 0.00 0.00 48 G 8.96 5.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 H 7.92 5.76 0.00 3.30 3.43 0.00 5.84 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 I 8.52 4.02 2.03 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.82 0.97 0.00 0.00 51 E 8.22 3.86 0.00 1.91 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 52 G 9.28 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 Q 7.80 4.52 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.96 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 54 P 0.00 4.32 0.00 2.14 2.14 0.00 3.72 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.90 0.00 55 E 8.23 3.81 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 56 R 7.78 4.65 0.00 1.83 1.95 0.00 3.10 0.00 0.00 3.24 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 57 K 8.01 4.86 0.00 1.78 1.83 0.00 1.25 0.00 0.00 2.42 0.00 0.00 3.12 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.33 7.81 58 G 8.90 4.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 V 8.61 4.61 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.21 0.00 0.00 60 F 9.31 5.41 0.00 3.24 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 P 0.00 3.38 0.00 1.76 0.60 0.00 3.83 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.96 0.00 62 V 7.88 3.38 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 -1.07 0.00 0.00 63 S 7.63 4.26 0.00 3.86 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.74 4.66 0.00 3.35 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 V 7.47 4.82 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 1.14 0.00 0.00 66 H 8.98 4.86 0.00 3.12 3.24 0.00 5.30 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.68 3.99 1.92 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.71 0.95 0.00 0.00 68 L 8.08 3.98 0.00 1.54 1.61 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 69 S 8.31 4.42 0.00 3.82 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 D 8.33 4.59 0.00 2.65 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 S 9.72 4.75 0.00 3.85 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 G 8.29 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.35 0.00 2.19 2.19 0.00 3.79 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 74 S 8.00 4.18 0.00 3.88 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 S 8.66 4.20 0.00 3.97 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 G 8.61 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00